N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide

C14H20N2O3 — CID 107172227

IUPACN-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCCNCC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-11-4-5-13(17)12(9-11)14(18)16-10-3-2-7-15-8-6-10/h4-5,9-10,15,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyRDMWOYUQUWBHTP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds3

About N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide

N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 107172227) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID107172227
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCCNCC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-11-4-5-13(17)12(9-11)14(18)16-10-3-2-7-15-8-6-10/h4-5,9-10,15,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyRDMWOYUQUWBHTP-UHFFFAOYSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995573
N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
CID 60975569
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
CID 63626426
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide (CID 107172227) is N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC2CCCNCC2)c1.
What is the InChIKey of N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is RDMWOYUQUWBHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-11-4-5-13(17)12(9-11)14(18)16-10-3-2-7-15-8-6-10/h4-5,9-10,15,17H,2-3,6-8H2,1H3,(H,16,18).
What are the key properties of N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide?
N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 107172227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).